SCHEMBL4619955

SCHEMBL4619955

COC(=O)CCc1cn(S(=O)(=O)c2ccc(-c3ccc(OC(F)(F)F)cc3)s2)c2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 15/20 0.47
PPARG P37231 2/20 0.44
PPARD Q03181 2/20 0.44
PPARA Q07869 2/20 0.44
MMP13 P45452 1/20 0.38
ERCC5 P28715 1/20 0.38
FEN1 P39748 1/20 0.38
IDE P14735 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4619504 0.93 HTR6 (0.44) HTR6PPARGPPARDPPARA
SCHEMBL5659606 0.91 HTR6 (0.47) HTR6PPARGPPARDPPARAMMP13
SCHEMBL4606728 0.84 HTR6 (0.46) HTR6PPARGPPARDPPARA
SCHEMBL4604784 0.83 PPARG (0.54) HTR6PPARGPPARDPPARA
SCHEMBL4604122 0.82 PPARG (0.61) HTR6PPARGPPARDPPARA
SCHEMBL4606312 0.79 PPARG (0.57) HTR6PPARGPPARDPPARA
SCHEMBL14605986 0.77 HTR6 (0.49) HTR6PPARGPPARDPPARAIDE
SCHEMBL14605985 0.77 HTR6 (0.52) HTR6PPARGPPARDPPARA
SCHEMBL4604070 0.76 PPARG (0.47) HTR6PPARGPPARDPPARAMMP13
SCHEMBL14572419 0.76 IDE (0.55) HTR6IDE

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1943245-A2 1,3-DISUBSTITUTED INDOLE DERIVATIVES FOR USE AS PPAR MODULATORS PLEXXIKON, INC. (US) 2008-07-16 EP disclosed
US-20070072904-A1 1-arylsulfone-substituted indole carboxylic acids or amides; peroxisome proliferator-activated receptor PPAR modulators; obesity, diabetes, cardiovascular disorders PLEXXIKON INC 2007-03-29 US disclosed
US-20070072904-A1 1-arylsulfone-substituted indole carboxylic acids or amides; peroxisome proliferator-activated receptor PPAR modulators; obesity, diabetes, cardiovascular disorders PLEXXIKON INC 2007-03-29 US disclosed
US-20070072904-A1 1-arylsulfone-substituted indole carboxylic acids or amides; peroxisome proliferator-activated receptor PPAR modulators; obesity, diabetes, cardiovascular disorders PLEXXIKON INC 2007-03-29 US disclosed
WO-2007030559-A2 1, 3-DISUBSTITUTED INDOLE DERIVATIVES FOR USE AS PPAR MODULATORS PLEXXIKON, INC. (US) 2007-03-15 WO disclosed
WO-2007030559-A2 1, 3-DISUBSTITUTED INDOLE DERIVATIVES FOR USE AS PPAR MODULATORS PLEXXIKON, INC. (US) 2007-03-15 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070072904-A1 1-arylsulfone-substituted indole carboxylic acids or amides; peroxisome proliferator-activated receptor PPAR modulators; obesity, diabetes, cardiovascular disorders PPARG, PPARA, PPARD HTR6 178/4885PPARG 1/4885PPARD 3/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.